SCHEMBL2957433

SCHEMBL2957433

Cc1cc(C([NH])=O)ccc1Nc1cccc(-c2nn(C)cc2Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 4/20 0.49
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALPL P05186 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ABL1 P00519 2/20 0.35
RECQL P46063 2/20 0.35
NTRK1 P04629 2/20 0.35
ESYT2 A0FGR8 1/20 0.35
HACL2 A1L0T0 1/20 0.35
NBAS A2RRP1 1/20 0.35
GTPBP10 A4D1E9 1/20 0.35
CNOT1 A5YKK6 1/20 0.35
TBKBP1 A7MCY6 1/20 0.35
AGPS O00116 1/20 0.35
ACOT7 O00154 1/20 0.35
MYO1F O00160 1/20 0.35
SNAP23 O00161 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2947675 0.90 L3MBTL1 (0.51) L3MBTL1ALDH1A1LMNASMN1; SMN2ALPL
SCHEMBL2959064 0.87 L3MBTL1 (0.48) L3MBTL1ALDH1A1SMN1; SMN2EGFRIGF1R
SCHEMBL2947361 0.83 L3MBTL1 (0.53) L3MBTL1ALDH1A1LMNASMN1; SMN2ALPL
SCHEMBL6198176 0.80 HTR2A (0.53) LMNAHDAC6HSD17B10ABL1RECQL
SCHEMBL2953418 0.77 L3MBTL1 (0.53) L3MBTL1ALDH1A1LMNASMN1; SMN2ALPL
SCHEMBL2953052 0.76 L3MBTL1 (0.52) L3MBTL1ALDH1A1LMNASMN1; SMN2ALPL
SCHEMBL6591729 0.75 DHODH (0.33) ABL1AURKATTKSYKMAPK8
SCHEMBL13240036 0.74 L3MBTL1 (0.68) L3MBTL1ALDH1A1LMNASMN1; SMN2FYN
SCHEMBL2953422 0.74 L3MBTL1 (0.49) L3MBTL1ALDH1A1LMNASMN1; SMN2MAPK11
SCHEMBL2952931 0.74 L3MBTL1 (0.49) L3MBTL1ALDH1A1LMNASMN1; SMN2ALPL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754866-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20090076254-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS INC. 2009-03-19 US disclosed
US-7368539-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20050119182-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2005-06-02 US disclosed
US-6846919-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2005-01-25 US disclosed
US-20030224442-A1 Non-endogeneous, constitutively activated human serotonin receptors and small molecule modualtors thereof BEHAN DOMINIC P (US) 2003-12-04 US disclosed
US-20030153004-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. 2003-08-14 US disclosed
US-6541209-B1 Bioassay; identification of compounds as agonists; use in treatment of diseases and disorders that are related to 5-HT2A and or 5-HT2C serotonin receptors ARENA PHARMACEUTICALS, INC. 2003-04-01 US disclosed
US-6420541-B1 MEMBRANE PROTEIN FOR USE IN TREATING PSYCHOLOGICAL, NERVOUS SYSTEM, EATING AND SEXUAL DISORDERS ARENA PHARMACEUTICALS, INC. 2002-07-16 US disclosed
US-6150393-A N-(3-(4-BROMO-1-METHYLPYRAZOL-3-YL)PHENYL)(PHENYLMETHYLAMINO) -CARBOXAMIDE MODIFIER OF ACTIVITY OF THE SEROTONIN 5-HT 2A; CNS, GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION ARENA PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-6140509-A Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2000-10-31 US disclosed
US-6107324-A CONTROLLING SEROTONIN ARENA PHARMACEUTICALS INC. (US) 2000-08-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050119182-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof HTR2A, HTR3B, HTR3A L3MBTL1 4160/4885ALDH1A1 3499/4885LMNA 4266/4885
US-20030153004-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof HTR2A, HTR3B, HTR6 L3MBTL1 4246/4885ALDH1A1 3459/4885LMNA 4447/4885
US-20030224442-A1 Non-endogeneous, constitutively activated human serotonin receptors and small molecule modualtors thereof HTR2A, HTR5A, HTR1A L3MBTL1 2801/4885ALDH1A1 3419/4885LMNA 4315/4885
US-20090076254-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF HTR2A, HTR3B, HTR3A L3MBTL1 4160/4885ALDH1A1 3499/4885LMNA 4266/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.